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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50314881'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
162n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
238n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair